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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1614665
CHEMBL1614665
Compound Name CEFCLIDIN
ChEMBL Synonyms CEFCLIDIN
Max Phase 0
Trade Names
Molecular Formula C21H26N8O6S2

Additional synonyms for CHEMBL1614665 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])C[N+]34CCC ...
Download SMILES
Standard InChI InChI=1S/C21H26N8O6S2/c1-35-26-11(14-25-20(23)37-27-14)15(30 ...
Download InChI
Standard InChI Key JUVHVMCKLDZLGN-TVNFHGJBSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1614665

Molecule Features

CHEMBL1614665 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov CEFCLIDIN
The Cochrane Collaboration CEFCLIDIN

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1614665. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.947
CHEMBL2725 Beta-lactamase Enterobacter cloacae 0.887

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2725 Beta-lactamase Enterobacter cloacae 0.986

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
550.6 550.1417 -2.64 8 206.02 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 3 2 14 5 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.07 - -3.74 -3.26 1 37 0.13

Structural Alerts

There are 14 structural alerts for CHEMBL1614665. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JUVHVMCKLDZLGN-TVNFHGJBSA-N
Wikipedia Cefclidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1614665



ACToR 114013-51-3
ChEBI 3484
EPA CompTox Dashboard DTXSID80147023
FDA SRS 78963CJ0OG
KEGG Ligand C11202
PubChem 6537446 57507213
PubChem: Drugs of the Future 12013984
PubChem: Thomson Pharma 14837266 24738264
SureChEMBL SCHEMBL1649323

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/JUVHVMCKLDZLGN-TVNFHGJBSA-N spacer
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